basic_info |
|
| Product_Name： | NCO-700 HEMISULFATE |
| EnglishSynonyms： | NCO-700 HEMISULFATE |
| pro_mdlNumber： | MFCD01076441 |
| pro_acceptors： | 11 |
| pro_donors： | 1 |
| pro_smile： | CCOC(=O)[C@H]1[C@@H](O1)C(=O)NC(CC(C)C)C(=O)N2CCN(CC2)Cc3ccc(c(c3OC)OC)OC.CCOC(=O)[C@H]1[C@@H](O1)C(=O)NC(CC(C)C)C(=O)N2CCN(CC2)Cc3ccc(c(c3OC)OC)OC.OS(=O)(=O)O |
| InChi： | InChI=1S/2C26H39N3O8.H2O4S/c2*1-7-36-26(32)23-22(37-23)24(30)27-18(14-16(2)3)25(31)29-12-10-28(11-13-29)15-17-8-9-19(33-4)21(35-6)20(17)34-5;1-5(2,3)4/h2*8-9,16,18,22-23H,7,10-15H2,1-6H3,(H,27,30);(H2,1,2,3,4)/t2*18?,22-,23-;/m11./s1 |
| InChiKey： | InChIKey=AWNIEFSZNNQBRL-ZCNUETMSSA-N |
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